4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide

C14H11Cl3N2O2 — CID 82810855

IUPAC4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-8-2-3-9(15)12(6-8)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPUQSIWJJXNJIOM-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.49
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide

4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide (PubChem CID 82810855) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
PubChem CID82810855
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-8-2-3-9(15)12(6-8)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPUQSIWJJXNJIOM-UHFFFAOYSA-N
XLogP4.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide (CID 82810855) is 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide is COc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide?
The InChIKey is PUQSIWJJXNJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-21-8-2-3-9(15)12(6-8)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide?
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide has a molecular weight of 345.61 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide is sourced from PubChem (CID 82810855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).